V026-5805 Screening compound: 4-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V026-5805 Screening compound: 4-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V026-5805 Screening compound: 4-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5805
4-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V026-5805

Molecular Formula

C20H24N2O6S (C20 H24 N2 O6 S)

Compound Name

4-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

4-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc1ccc(CN(CCOC)C(C)=O)cc1)(=O)=O)=O

InChI

InChI=1S/C20H24N2O6S/c1-15(23)21-18-6-10-20(11-7-18)29(25,26)28-19-8-4-17(5-9-19)14-22(16(2)24)12-13-27-3/h4-11H,12-14H2,1-3H3,(H,21,23)

InChI Key

DLJZTMWVYOYOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.486

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.42

Polar Surface Area

84.533

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V026-5805 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V026-5805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5805?
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What is the minimum amount of V026-5805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5805
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V026-5805 available by request